CID 307976

34776-19-7

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

CC1=NC(=NN1C)N

InChI

InChI=1S/C4H8N4/c1-3-6-4(5)7-8(3)2/h1-2H3,(H2,5,7)

InChIKey

IUOZPYYXZYMRIJ-UHFFFAOYSA-N

Compound name

1,5-dimethyl-1,2,4-triazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 112.0749 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	113.08218	120.3
[M+Na]+	135.06412	131.6
[M+NH4]+	130.10872	127.8
[M+K]+	151.03806	128.9
[M-H]-	111.06762	120.4
[M+Na-2H]-	133.04957	125.8
[M]+	112.07435	121.6
[M]-	112.07545	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe